# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0BD' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C0 C 1.22900 1.08100 -1.38300 1.000 C1 C -0.04800 1.51400 -0.65600 1.000 C2 C -0.61200 0.31900 0.11800 1.000 C3 C 0.45600 -0.20500 1.08100 1.000 O4 O 1.62700 -0.56100 0.34400 1.000 C5 C 2.22600 0.52800 -0.36200 1.000 O6 O -1.76300 0.72900 0.85900 1.000 O7 O 3.39700 0.07000 -1.04000 1.000 C8 C 4.49200 -0.23000 -0.17100 1.000 C9 C 5.20200 -1.49300 -0.66300 1.000 C10 C 4.25100 -2.68700 -0.55900 1.000 O11 O 1.80400 2.20700 -2.05000 1.000 O12 O -1.01200 1.96400 -1.61000 1.000 C13 C -0.07900 -1.43700 1.81500 1.000 O14 O 0.87100 -1.85700 2.79600 1.000 C15 C -2.99300 0.59700 0.14200 1.000 C16 C 4.91000 -3.92000 -1.17900 1.000 C17 C 3.93600 -2.96200 0.91300 1.000 C18 C 5.47600 0.94100 -0.16800 1.000 C19 C 4.80900 2.16700 0.45900 1.000 C20 C 4.53000 1.89500 1.93800 1.000 C21 C 5.73800 3.37500 0.32900 1.000 O22 O -3.30600 -0.78800 -0.01400 1.000 C23 C -4.11500 1.28800 0.92300 1.000 C24 C -4.51000 -1.03500 -0.74300 1.000 C25 C -5.43900 1.09000 0.17900 1.000 C26 C -5.69300 -0.41000 0.00100 1.000 H27 H 0.98800 0.30800 -2.11300 1.000 H28 H 0.18400 2.32200 0.03800 1.000 H29 H -0.89000 -0.47000 -0.58200 1.000 H30 H 0.70400 0.57000 1.80600 1.000 H31 H 2.49700 1.31300 0.34300 1.000 H32 H 4.11800 -0.39400 0.84000 1.000 H33 H 5.50500 -1.35800 -1.70100 1.000 H34 H 6.08300 -1.67600 -0.04800 1.000 H35 H 3.32700 -2.46200 -1.09200 1.000 H36 H 2.61700 2.00500 -2.53300 1.000 H37 H -0.71800 2.71700 -2.14100 1.000 H38 H -1.02000 -1.18800 2.30400 1.000 H39 H -0.24300 -2.24300 1.10000 1.000 H40 H 0.59800 -2.63500 3.30100 1.000 H41 H -2.89400 1.06100 -0.83900 1.000 H42 H 4.20100 -4.74700 -1.18500 1.000 H43 H 5.21300 -3.69400 -2.20200 1.000 H44 H 5.78700 -4.19600 -0.59300 1.000 H45 H 3.46600 -2.08300 1.35400 1.000 H46 H 3.25800 -3.81200 0.98600 1.000 H47 H 4.86000 -3.18700 1.44600 1.000 H48 H 6.35900 0.67200 0.41200 1.000 H49 H 5.77000 1.17100 -1.19200 1.000 H50 H 3.87100 2.37300 -0.05600 1.000 H51 H 5.46800 1.68900 2.45300 1.000 H52 H 4.05400 2.76800 2.38500 1.000 H53 H 3.86800 1.03400 2.03100 1.000 H54 H 5.93800 3.56900 -0.72500 1.000 H55 H 5.26300 4.24900 0.77500 1.000 H56 H 6.67700 3.16900 0.84400 1.000 O57 O -3.83200 2.68400 1.03100 1.000 H58 H -4.18700 0.85100 1.91900 1.000 C59 C -4.72800 -2.54400 -0.87300 1.000 H60 H -4.43100 -0.59200 -1.73700 1.000 O61 O -5.36700 1.71800 -1.10200 1.000 H62 H -6.25100 1.53200 0.75700 1.000 O63 O -5.83000 -1.02700 1.28300 1.000 H64 H -6.60600 -0.55900 -0.57500 1.000 H65 H -5.69000 -2.73300 -1.35000 1.000 O66 O -3.68300 -3.11000 -1.66600 1.000 H67 H -4.71900 -2.99900 0.11800 1.000 H68 H -3.00300 2.88300 1.48800 1.000 H69 H -5.20100 2.67000 -1.06400 1.000 H70 H -6.56200 -0.67900 1.81000 1.000 H71 H -3.75700 -4.06600 -1.79100 1.000